tetraethylammonium   Click here for help

GtoPdb Ligand ID: 2343

Abbreviated name: TEA
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 0
Molecular weight 130.16
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+](CC)(CC)CC
Isomeric SMILES CC[N+](CC)(CC)CC
InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
InChI Key CBXCPBUEXACCNR-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel